3-cyclohexyl-2-(2,4-dichlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium

Formula:C21H19N4Cl2 Mutagenic:low Tumorigenic:none Reproductive Effective:none 3-cyclohexyl-2-(2,4-dichlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium is a drug-like molecule.

MolName	3-cyclohexyl-2-(2,4-dichlorophenyl)-1H-imidazo[4,5-b]quinoxalin-3-ium
MolecularFormula	C21H19N4Cl2
Smiles	Clc(cc1)cc(Cl)c1-c1[n+](C2CCCCC2)c2nc3ccccc3nc2[nH]1
InChI	InChI=1S/C21H18Cl2N4/c22-13-10-11-15(16(23)12-13)20-26-19-21(27(20)14-6-2-1-3-7-14)25-18-9-5-4-8-17(18)24-19/h4-5,8-12,14H,1-3,6-7H2/p+1
InChIK	NGZMDKQWKVQLIX-UHFFFAOYSA-O
TotalMolweight	398.316
Molweight	398.316
MonoisotopicMass	397.098675
CLogP	2.0378
CLogS	-7.419
H Acceptors	4
H Donors	1
TotalSurfaceArea	285.25
Relative PSA	0.13564
PolarSurfaceArea	45.45
Druglikeness	-5.5524
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	tert. immonium
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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